3-bromo-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide
Formula:C18H11N4O2BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide |
| MolecularFormula | C18H11N4O2BrClF |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c(cc1)ccc1Oc1nc(Cl)ncc1F |
| InChI | InChI=1S/C18H11BrClFN4O2/c19-13-3-1-2-12(8-13)16(26)25-23-9-11-4-6-14(7-5-11)27-17-15(21)10-22-18(20)24-17/h1-10H,(H,25,26) |
| InChIK | KUSZTEOAPUVHOT-UHFFFAOYSA-N |
| TotalMolweight | 449.666 |
| Molweight | 449.666 |
| MonoisotopicMass | 447.973792 |
| CLogP | 5.0595 |
| CLogS | -7.192 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 294.67 |
| Relative PSA | 0.2306 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | 1.2058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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